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MolNFT v1 · #140165 · protein

Crystal structure of AL2 pal domain in complex with ATRING1A proximal site

5Y21 · Phd finger protein alfin-like 2: “Crystal structure of AL2 pal domain in complex with ATRING1A proximal site”. X-ray diffraction, 5 pockets (best druggability 0.79). MolNFT v1 #140165 on GenesisL1: 3D structure, binding sites and…

PDB
5Y21
Type
protein
Length
283 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phd finger protein alfin-like 2; ATRING1A proximal binding site peptide
UniProt
Q9SRM4, F4K8U4
Pockets
5 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPhd finger protein alfin-like 2protein13153% helix, 8% strandQ9SRM4
CATRING1A proximal binding site peptideprotein120% helix, 17% strandF4K8U4
DATRING1A proximal binding site peptideprotein90% helix, 22% strandF4K8U4

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11340.790.9728empty
2570.710.9819empty
31030.420.7719empty
4940.360.7519empty
5610.300.7517empty

Interfaces

6 interfaces between chains.

  • A–B · 1583 Ų buried · 15 hydrogen bonds · protein-protein
  • A–C · 421 Ų buried · 7 hydrogen bonds · protein-protein
  • B–D · 410 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 354 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 333 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 5Y21 · Crystal structure of AL2 PAL domain in complex with AtRing1a proximal site · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9SRM4 · AlphaFold monomer V2.0 prediction for phd finger protein alfin-like 2 (Q9SRM4) · a predicted model of the same protein · chain B against A, TM-score 0.99

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